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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Methyladenosine1-MethyladenosineME543234--6.59282,11973
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME543235--13.91147,06525
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME543236--13.18133,08597
2-Pyrrolidinone2-PyrrolidinoneME543237--2.686,06028
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME543238--9.64239,09129
3,5-Dimethoxyphenol-ME543239--9.69155,07037
3-Hexenedioic acid3-Hexenedioic acidME543240--3.39145,04944
3-Indolepropionic acid3-Indolepropionic acidME543241--11.56190,08633
3-Methylindole3-MethylindoleME543242--7.41132,08074
3-Methylxanthine3-MethylxanthineME543243--6.4167,0564
4-Aminohippuric acid4-Aminohippuric acidME543244--6.46195,07396
5a-Androstane-3b,17b-diol5alpha-Androstane-3beta,17beta-diolME543247--18.59293,2478
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME543245--6.51192,06563
5-Methoxytryptophan5-MethoxytryptophanME543246--7.42235,10781
9-Methyluric acid9-Methyluric acidME543248--6.43183,05124
AcetaminophenAcetaminophenME543249--7.35152,07062
Acetaminophen glucuronidep-AcetamidophenylglucuronideME543250--6.54350,0848
AcrylamideAcrylamideME543251--872,04453
All-trans-retinoic acidRetinoic acidME543252--14.81301,21644
Alpha-N-phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME543253--8.48265,11824
AspartameAspartameME543254--6.67295,12898
AzythromycinAzithromycinME543255--14.03749,51226
BenzocaineBenzocaineME543256--8.75166,08632
Benzoic acidBenzoic acidME543257--4.35123,04397
CaffeineCaffeineME543258--8.17195,08771
Cinnamic acidtrans-Cinnamic acidME543259--6.57149,05972
CortisolCortisolME543260--11.23363,21672
CreatineCreatineME543261--2.6132,07675
CreatinineCreatinineME543262--2.59114,06619
CyclohexanoneCyclohexanoneME543263--15.499,08071
D-AlanineD-AlanineME543264--7.4990,05234
Deoxycholic acid glycine conjugateGlycodeoxycholic acidME543265--13.85450,3218
DiacetylDiacetylME543266--15.0887,04424
DL-2-aminooctanoic acid2-Aminocaprylic acidME543267--8.25160,13331
DUMPdUMPME543268--3.48309,04937
Glycerophosphocholinesn-Glycero-3-phosphocholineME543269--3.48258,1103
Glycyl-L-leucineGly-LeuME543270--6.13189,12354
GuanineGuanineME543271--6.18152,05676
Guanosine 5'-triphosphateGTPME543272--13.99524,00034
Hippuric acidHippuric acidME543273--8.57202,04758
HypoxanthineHypoxanthineME543274--6.19137,04573
IndoleIndoleME543275--7.41118,06506
Indole-3-carbinolIndole-3-carbinolME543276--7.41170,06007
Indoleacetic acidIndoleacetic acidME543277--10.69176,07067
Indoleacrylic acidIndoleacrylic acidME543278--7.96188,07063
Indolelactic acidIndolelactic acidME543279--9.88206,08123
InosineInosineME543280--6.19269,08812
Isobutyric acidIsobutyric acidME543282--13.8989,05985
Iso-ValeraldehydeIso-ValeraldehydeME543281--15.7187,08063
IsovalerylcarnitineCAR 4:0;3MeME543283--7.77246,17007
Kynurenic acidKynurenic acidME543284--8.08190,04997
L-AcetylcarnitineCAR 2:0ME543285--3.39204,12314
L-ArginineArginineME543286--1.7175,11904
L-Aspartyl-L-phenylalanineAsp-PheME543287--7.42281,11331
L-CarnitineCarnitineME543288--2.56162,11252
L-HistidineHistidineME543289--1.66156,07683
L-KynurenineKynurenineME543290--6.52209,09217
L-NorleucineNorleucineME543291--8.6132,10189
L-PhenylalaninePhenylalanineME543292--6.57166,08623
L-ProlineProlineME543293--2.73116,07058
L-SorboseSorboseME543294--2.37203,05267
L-TryptophanTryptophanME543295--7.41205,09715
L-ValineValineME543296--2.95118,08622
m-Coumaric acidtrans-m-Coumaric acidME543297--4.39165,05466
N-AcetylputrescineN-AcetylputrescineME543299--2.63131,11789
N,N-DimethylformamideN,N-DimethylformamideME543298--4.3874,06022
NorepinephrineNorepinephrineME543300--7.1170,08127
o-Tyrosineo-TyrosineME543301--4.37182,08124
OxypurinolOxypurinolME543302--4.21153,0407
Pantothenic acidPantothenic acidME543303--6.97220,11806
Paracetamol sulfateParacetamol sulfateME543304--7.48232,02759
ParaxanthineParaxanthineME543305--7.47181,07203
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME543306--17.83786,60068
PhenylacetaldehydePhenylacetaldehydeME543307--13.91121,0649
Phenylacetic acidPhenylacetic acidME543308--11.81137,05969
Phenylpropiolic acidPhenylpropiolic acidME543309--4.34147,04422
Pipecolic acidPipecolic acidME543310--3.4130,08623
PregnenolonePregnenoloneME543311--18.84317,24781
PyridoxaminePyridoxamineME543312--6.72169,09712
Pyroglutamic acidPyroglutamic acidME543313--8.48130,0498
SerotoninSerotoninME543314--7.21177,10234
SphinganineSphinganineME543315--12.71302,30553
ThyroxineThyroxineME543316--11.7777,69379
Traumatic acidTraumatic acidME543317--10.48229,1421
TrimethylamineTrimethylamineME543318--7.9660,08091
UreaUreaME543319--2.6961,03978
Uric acidUric acidME543320--3.66169,0356
UridineUridineME543321--14.36245,07864
Valeric acidValeric acidME543322--14.26103,07565


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